N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide

C14H21N3O2 — CID 77036912

IUPACN-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)cc1C
InChIInChI=1S/C14H21N3O2/c1-10-6-7-12(9-11(10)2)14(18)16-8-4-3-5-13(15)17-19/h6-7,9,19H,3-5,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJAHQXIKLYLKAFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide

N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide (PubChem CID 77036912) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
PubChem CID77036912
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCCC(N)=NO)cc1C
InChIInChI=1S/C14H21N3O2/c1-10-6-7-12(9-11(10)2)14(18)16-8-4-3-5-13(15)17-19/h6-7,9,19H,3-5,8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyJAHQXIKLYLKAFJ-UHFFFAOYSA-N
XLogP1.95
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)quinoxaline-6-carboxamide
CID 77036760
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
N-hexyl-3,4-dimethylbenzamide
CID 4523484
N-(5-amino-5-oxopentyl)-4-bromo-3-methylbenzamide
CID 103896326
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide (CID 77036912) is N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCCC(N)=NO)cc1C.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide?
The InChIKey is JAHQXIKLYLKAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-6-7-12(9-11(10)2)14(18)16-8-4-3-5-13(15)17-19/h6-7,9,19H,3-5,8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide?
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 77036912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).